Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester
TL;DR: Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester (CAS 104388-87-6) is a chemical compound with molecular formula C10H7N3O5S and molecular weight 281.01065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
Also Known As: Benzothiazolyl-2-oxaminic acid, 6-nitro-, methyl ester, ACETIC ACID, ((6-NITRO-2-BENZOTHIAZOLYL)AMINO)OXO-, METHYL ESTER, ((6-Nitro-2-benzothiazolyl)amino)oxoacetic acid methyl ester, methyl 2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoacetate, Methyl [(6-nitro-1,3-benzothiazol-2-yl)amino](oxo)acetate
Technical Specifications
| Molecular Formula | C10H7N3O5S |
| Molecular Weight | 281.01065 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.01065 Da |
| Heavy Atoms | 19 |
| Complexity | 399.0 |
| SMILES | COC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | OMGXXYXKRYICJM-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester
Property Insights of Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester. The TPSA of 142.0 Ų indicates high polarity, suggesting Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester?
The CAS number of Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester is 104388-87-6.
What is the molecular formula of Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester?
The molecular formula of Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester is C10H7N3O5S.
What is the molecular weight of Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester?
The molecular weight of Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester is 281.01065 g/mol.
Where can I buy Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester?
You can request a quote for Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((6-nitro-2-benzothiazolyl)amino)oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.